methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate

methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate

CAS: 544450-68-2

Formula: C16H16ClNO3S

SMILES: CCC1=C(C)SC(NC(=O)C2=CC=C(Cl)C=C2)=C1C(=O)OC

IUPAC: methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate

InChI: InChI=1S/C16H16ClNO3S/c1-4-12-9(2)22-15(13(12)16(20)21-3)18-14(19)10-5-7-11(17)8-6-10/h5-8H,4H2,1-3H3,(H,18,19)

Composition: C (56.89%), H (4.77%), Cl (10.49%), N (4.15%), O (14.21%), S (9.49%)

Molar Mass: 337.82

Atom Count: 38

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	337.0539423
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AAFLALGGEYRGTR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	89.39
Topological Polar Surface Area	55.4
Polarizability	33.32
Ring Count	2
Rotatable Bond Count	5

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